Mol:FL3FALNI0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 39 0 0 0 0 0 0 0 0999 V2000 | + | 37 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3939 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3939 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3939 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3939 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8376 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8376 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2813 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2813 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2813 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2813 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8376 -0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8376 -0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2750 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2750 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8313 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8313 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8313 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8313 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2750 -0.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2750 -0.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2750 -2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2750 -2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3874 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3874 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9543 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9543 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9543 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9543 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3874 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3874 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8376 -2.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8376 -2.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8376 -0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8376 -0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0620 -0.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0620 -0.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3937 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3937 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3937 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3937 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8376 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8376 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8205 0.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8205 0.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9498 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9498 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9498 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9498 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5059 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5059 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5059 2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5059 2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9498 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9498 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0620 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0620 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3874 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3874 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9435 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9435 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4956 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4956 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4901 -2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4901 -2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0532 -1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0532 -1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7512 -0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7512 -0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2512 0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2512 0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 1 36 1 0 0 0 0 | + | 1 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 36 37 | + | M SAL 1 2 36 37 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 38 -1.7512 -0.6642 | + | M SVB 1 38 -1.7512 -0.6642 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0010 | + | ID FL3FALNI0010 |
| − | KNApSAcK_ID C00004033 | + | KNApSAcK_ID C00004033 |
| − | NAME Brosimone H | + | NAME Brosimone H |
| − | CAS_RN 123064-85-7 | + | CAS_RN 123064-85-7 |
| − | FORMULA C31H36O6 | + | FORMULA C31H36O6 |
| − | EXACTMASS 504.251188884 | + | EXACTMASS 504.251188884 |
| − | AVERAGEMASS 504.61394 | + | AVERAGEMASS 504.61394 |
| − | SMILES c(c12)(cc(c(c(OC(c(c3O)ccc(c3)O)=C(CC=C(C)C)C2=O)1)CC=C(C)CCC=C(C)C)OC)O | + | SMILES c(c12)(cc(c(c(OC(c(c3O)ccc(c3)O)=C(CC=C(C)C)C2=O)1)CC=C(C)CCC=C(C)C)OC)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 39 0 0 0 0 0 0 0 0999 V2000
-1.3939 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3939 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2813 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2813 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2750 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8313 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8313 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2750 -0.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2750 -2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9543 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9543 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -2.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0620 -0.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3937 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3937 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 0.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9498 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9498 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5059 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5059 2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9498 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0620 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4956 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4901 -2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0532 -1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7512 -0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2512 0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
20 15 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
22 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
8 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
1 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 38
M SMT 1 OCH3
M SVB 1 38 -1.7512 -0.6642
S SKP 8
ID FL3FALNI0010
KNApSAcK_ID C00004033
NAME Brosimone H
CAS_RN 123064-85-7
FORMULA C31H36O6
EXACTMASS 504.251188884
AVERAGEMASS 504.61394
SMILES c(c12)(cc(c(c(OC(c(c3O)ccc(c3)O)=C(CC=C(C)C)C2=O)1)CC=C(C)CCC=C(C)C)OC)O
M END
